N-[2-(oxan-4-yloxymethyl)prop-2-enyl]cyclopropanamine

C12H21NO2 — CID 103074685

IUPACN-[2-(oxan-4-yloxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COC1CCOCC1
InChIInChI=1S/C12H21NO2/c1-10(8-13-11-2-3-11)9-15-12-4-6-14-7-5-12/h11-13H,1-9H2
InChIKeyPRJOAFNYPWSWBU-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.49
Rot. Bonds6

About N-[2-(oxan-4-yloxymethyl)prop-2-enyl]cyclopropanamine

N-[2-(oxan-4-yloxymethyl)prop-2-enyl]cyclopropanamine (PubChem CID 103074685) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-[2-(oxan-4-yloxymethyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(oxan-4-yloxymethyl)prop-2-enyl]cyclopropanamine
PubChem CID103074685
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-[2-(oxan-4-yloxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COC1CCOCC1
InChIInChI=1S/C12H21NO2/c1-10(8-13-11-2-3-11)9-15-12-4-6-14-7-5-12/h11-13H,1-9H2
InChIKeyPRJOAFNYPWSWBU-UHFFFAOYSA-N
XLogP1.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074323
N-[2-(cyclopentyloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074330
N-[2-(propan-2-yloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074435
N-[2-(oxan-2-ylmethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074448
2-(oxan-2-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074449
N-[2-(oxolan-2-ylmethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074462
N-[2-(pentoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074634
N-[2-(butan-2-yloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074653
N-[2-(3-methoxypropoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074660
N-ethyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine
CID 103074684
2-(oxan-4-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074686
N-tert-butyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine
CID 103074687

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-4-yloxymethyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-(oxan-4-yloxymethyl)prop-2-enyl]cyclopropanamine (CID 103074685) is N-[2-(oxan-4-yloxymethyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(oxan-4-yloxymethyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(oxan-4-yloxymethyl)prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COC1CCOCC1.
What is the InChIKey of N-[2-(oxan-4-yloxymethyl)prop-2-enyl]cyclopropanamine?
The InChIKey is PRJOAFNYPWSWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(8-13-11-2-3-11)9-15-12-4-6-14-7-5-12/h11-13H,1-9H2.
What are the key properties of N-[2-(oxan-4-yloxymethyl)prop-2-enyl]cyclopropanamine?
N-[2-(oxan-4-yloxymethyl)prop-2-enyl]cyclopropanamine has a molecular weight of 211.30 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-4-yloxymethyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103074685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).